Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8780548 | 0.77 | CALM1 (0.50) | TAAR1CYP2A6TP53TRPA1CALM1 | |
| Isobutylbenzene SCHEMBL7493657 | 0.67 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL57393 | 0.67 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9863667 | 0.67 | — | — | |
| Isobutylbenzene SCHEMBL2571645 | 0.67 | SIGMAR1 (0.64) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL31498540 | 0.65 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL31284788 | 0.65 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL363626 | 0.65 | TAAR1 (0.61) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL11468970 | 0.65 | TAAR1 (0.61) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL6891614 | 0.65 | SIGMAR1 (0.61) | TAAR1SIGMAR1SLC6A2SLC6A4SLC6A3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1023299-B1 | COMBINED GENERATION OF PHOSPHINIC ACID DERIVATIVES | AVENTIS CROPSCIENCE GMBH (DE) | 2002-03-27 | — | — | EP | disclosed |